ZGG
Summary
| Name: | 8-(2-methoxyphenyl)-10-(4-phenylphenyl)-1$l^{4},8-diazabicyclo[5.3.0]deca-1(7),9-diene |
| Formula: | C27 H27 N2 O |
| Formal charge: | 1 |
| Formula weight: | 395.516 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-([1,1'-biphenyl]-4-yl)-1-(2-methoxyphenyl)-1,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium |
| OpenEye OEToolkits | 2.0.7 | 1-(2-methoxyphenyl)-3-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a]azepin-4-ium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1ccccc1n1cc([n+]2CCCCCc21)c1ccc(cc1)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C27H27N2O/c1-30-26-13-8-7-12-24(26)29-20-25(28-19-9-3-6-14-27(28)29)23-17-15-22(16-18-23)21-10-4-2-5-11-21/h2,4-5,7-8,10-13,15-18,20H,3,6,9,14,19H2,1H3/q+1 |
| InChIKey | InChI | 1.03 | ZXQNQLPFZBEUMQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1n2cc(c3ccc(cc3)c4ccccc4)[n+]5CCCCCc25 |
| SMILES | CACTVS | 3.385 | COc1ccccc1n2cc(c3ccc(cc3)c4ccccc4)[n+]5CCCCCc25 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccccc1n2cc([n+]3c2CCCCC3)c4ccc(cc4)c5ccccc5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccccc1n2cc([n+]3c2CCCCC3)c4ccc(cc4)c5ccccc5 |
